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5LYR
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BU of 5lyr by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-09-28
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M5D
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BU of 5m5d by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-21
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5MC8
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BU of 5mc8 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-D-glucal and alpha-1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-09
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
Descriptor: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-11-15
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M3W
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BU of 5m3w by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-17
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M17
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BU of 5m17 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-07
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
5M03
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BU of 5m03 by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-noeuromycin and 1,2-alpha-mannobiose
Descriptor: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
Deposit date:2016-10-03
Release date:2017-01-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
6H0B
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BU of 6h0b by Molmil
Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ...
Authors:de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R.
Deposit date:2018-07-08
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4.
ACS Cent Sci, 4, 2018
3LSE
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BU of 3lse by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9 in complex with lactose
Descriptor: Galectin-9, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Ruiz, F.M, Romero, A.
Deposit date:2010-02-12
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
7OO2
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BU of 7oo2 by Molmil
Crystal structure of an antibody targeting the capsular polysaccharide of serogroup X Neisseria meningitidis (MenX)
Descriptor: THIOCYANATE ION, anti-MenX Fab heavy chain, anti-MenX Fab light chain
Authors:Pietri, G.P, de Ruyck, J, Lenac, T, Adamo, R, Bouckaert, J.
Deposit date:2021-05-26
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Elucidating the Structural and Minimal Protective Epitope of the Serogroup X Meningococcal Capsular Polysaccharide.
Front Mol Biosci, 8, 2021
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
Descriptor: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
Authors:Sanchez-Barrena, M.J, Blanco-Gabella, P.
Deposit date:2019-01-17
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
3JUT
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BU of 3jut by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid
Descriptor: 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1
Authors:Fernandez, I.S, Gimenez-Gallego, G, Romero, A.
Deposit date:2009-09-15
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
3K1X
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BU of 3k1x by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with dobesilate
Descriptor: 2,5-dihydroxybenzenesulfonic acid, Heparin-binding growth factor 1
Authors:Romero, A, Fernandez, I.S, Gimenez-Gallego, G.
Deposit date:2009-09-29
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
3LSD
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BU of 3lsd by Molmil
N-Domain of human adhesion/growth-regulatory galectin-9
Descriptor: Galectin-9
Authors:Ruiz, F.M, Romero, A.
Deposit date:2010-02-12
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
7BE3
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BU of 7be3 by Molmil
Human Galectin-3 in complex with LacdiNAc
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Trovao, F, Carvalho, A.L.
Deposit date:2020-12-22
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27, 2021
6MD6
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BU of 6md6 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
Authors:Streltsov, V.A, Luang, S, Hrmova, M.
Deposit date:2018-09-04
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
6MI1
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BU of 6mi1 by Molmil
CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ...
Authors:Streltsov, V.A, Luang, S, Hrmova, M.
Deposit date:2018-09-18
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
6Y54
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BU of 6y54 by Molmil
Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab
Descriptor: 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ...
Authors:Dello Iacono, L, Henriques, P, Adamo, R.
Deposit date:2020-02-24
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
2W66
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BU of 2w66 by Molmil
BtGH84 in complex with HQ602
Descriptor: CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2MWL
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BU of 2mwl by Molmil
NMR structure of VG16KRKP, an antimicrobial peptide in LPS
Descriptor: antimicrobial peptide
Authors:Bhunia, A, Datta, A.
Deposit date:2014-11-13
Release date:2014-12-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Antimicrobial Peptides: Insights into Membrane Permeabilization, Lipopolysaccharide Fragmentation and Application in Plant Disease Control.
Sci Rep, 5, 2015
7MFL
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BU of 7mfl by Molmil
Structure of the Clostridium perfringens GH89 in complex with beta-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
7MFK
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BU of 7mfk by Molmil
Structure of the Clostridium perfringens GH89 in complex with alpha-HNJNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-N-acetylglucosaminidase family protein, CALCIUM ION, ...
Authors:Boraston, A.B.
Deposit date:2021-04-09
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Iminosugar C-Glycosides Work as Pharmacological Chaperones of NAGLU, a Glycosidase Involved in MPS IIIB Rare Disease*.
Chemistry, 27, 2021
2W67
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BU of 2w67 by Molmil
BtGH84 in complex with FMA34
Descriptor: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ...
Authors:He, Y, Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
8TJ9
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BU of 8tj9 by Molmil
CRYSTAL STRUCTURE OF THE A/Michigan/15/2014(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024
8TJ7
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BU of 8tj7 by Molmil
CRYSTAL STRUCTURE OF THE A/Shandong/9/1993(H3N2) INFLUENZA VIRUS HEMAGGLUTININ WITH HUMAN RECEPTOR ANALOG 6'-SLNLN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2023-07-20
Release date:2024-02-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Evolution of human H3N2 influenza virus receptor specificity has substantially expanded the receptor-binding domain site.
Cell Host Microbe, 32, 2024

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数据于2024-07-17公开中

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